SCHEMBL10301630

SCHEMBL10301630

CCCCCCOc1ccc(C2CCC(c3ccc(C)c(F)c3)CC2)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.36
SCN9A Q15858 1/20 0.35
KDM1A O60341 2/20 0.35
ESR1 P03372 2/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SPHK1 Q9NYA1 1/20 0.33
PPARG P37231 5/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
TSHR P16473 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10301633 1.00 FPR2 (0.36) FPR2SCN9AKDM1AESR1THRA
SCHEMBL10301623 0.99 FPR2 (0.37) FPR2SCN9AKDM1AESR1THRA
SCHEMBL10301622 0.95 SCN9A (0.39) FPR2SCN9AKDM1APDE4APDE4B
SCHEMBL11933466 0.89 KDM5A (0.35) FPR2SCN9AKDM1AESR1THRA
SCHEMBL10301621 0.88 KDM1A (0.45) FPR2KDM1APDE4A
SCHEMBL11933404 0.88 SCN9A (0.33) FPR2SCN9APDE4APDE4BPDE4C
SCHEMBL11933434 0.87 KDM1A (0.34) FPR2SCN9AKDM1AESR1THRA
SCHEMBL11933593 0.87 FPR2 (0.32) FPR2SCN9AKDM1AESR1THRA
SCHEMBL10301651 0.87 ESR1 (0.36) FPR2SCN9AESR1THRATHRB
SCHEMBL10301649 0.87 ESR1 (0.36) FPR2SCN9AESR1THRATHRB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 FPR2 2267/4885SCN9A 2704/4885KDM1A 549/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.